Implicit assumptions¶
MonteCoffee has a few implicit assumptions:
The user masters the concept of object-oriented programming in Python.
The chemical species are simply represented as integers for computational efficiency. The user decides the meaning of each integer.
At most two sites are involved in binding adsorbates and reactions. (Coarse-grained sites can be assumed).
Only sites that are in each others’ neighbor-list are connected.
The event numbering is decided by the order of which the user loads the events (see the example in test.py).
The model implemented by the user is thermodynamically consistent, and detailed balance is obeyed by the events.